4-Bromobenzenemethanamine
Properties
- Molecular formula
- C7H8BrN
- Molar mass
- 186.05 g/mol
- Exact mass
- 184.9840 Da
- Melting point
- 20 °C
- Boiling point
- 250 °C
- logP
- 1.91Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
3959-07-7SMILES
NCc1ccc(Br)cc1InChIKey
XRNVSPDQTPVECU-UHFFFAOYSA-NInChI
InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenemethanamine, 4-bromo-
- Benzylamine, p-bromo-
- 4-Bromobenzylamine
- p-Bromobenzylamine
- p-Bromobenzenemethanamine
- (4-Bromophenyl)methanamine
- 1-(4-Bromophenyl)methanamine
Work with 4-Bromobenzenemethanamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
P-Xylylenediamine539-48-067 % similar
4-Bromophenethylamine73918-56-661 % similar
4-Hydroxybenzylamine696-60-657 % similar
4-Aminobenzylamine4403-71-852 % similar
4-Bromobenzyl bromide589-15-152 % similar
Benzylamine100-46-950 % similar
4-Methylbenzylamine104-84-750 % similar
4-Chlorobenzylamine104-86-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.